588675-34-7
3-CHLORO-4-FLUORO-N-(5-METHYL-3-ISOXAZOLYL)-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Name3-CHLORO-4-FLUORO-N-(5-METHYL-3-ISOXAZOLYL)-BENZO[B]THIOPHENE-2-CARBOXAMIDE
FormulaC13 H8 Cl F N2 O2 S
1Identification
【Name】
3-CHLORO-4-FLUORO-N-(5-METHYL-3-ISOXAZOLYL)-BENZO[B]THIOPHENE-2-CARBOXAMIDE
【CAS】
【MDL】
MFCD03943659
【English Synonyms】
【Formula】
C13 H8 Cl F N2 O2 S
【MolWeight】
310.735
【Inchi】
InChI=1S/C13H8ClFN2O2S/c1-6-5-9(17-19-6)16-13(18)12-11(14)10-7(15)3-2-4-8(10)20-12/h2-5H,1H3,(H,16,17,18)
【InChIKey】
InChIKey=MCDXBOSWSCLPGC-UHFFFAOYSA-N
【SMILES】
Cc1cc(no1)NC(=O)c2c(c3c(cccc3s2)F)Cl
【MOL File】
3-CHLORO-4-FLUORO-N-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-CHLORO-4-FLUORO-N-(5-METHYL-3-ISOXAZOLYL)-BENZO[B]THIOPHENE-2-CARBOXAMIDE.cml